General Information of the Compound
| Compound ID |
CP0443578
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| Compound Name |
3-(Pent-4-enoyloxy)lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C35H54O4
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| Molecular Weight |
538.813
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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| InChI |
InChI=1S/C35H54O4/c1-9-10-11-28(36)39-27-16-17-32(6)25(31(27,4)5)15-18-34(8)26(32)13-12-24-29-23(22(2)3)14-19-35(29,30(37)38)21-20-33(24,34)7/h9,23-27,29H,1-2,10-21H2,3-8H3,(H,37,38)/t23-,24+,25-,26+,27-,29+,32-,33+,34+,35-/m0/s1
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| InChIKey |
XLQKZAMYHJOBKG-SPODLQDHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound